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2,4-Bis(phenylthio)-3-pentanone
SpectraBase Compound ID 48b7DajAvRj
InChI InChI=1S/C17H18OS2/c1-13(19-15-9-5-3-6-10-15)17(18)14(2)20-16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKey XBOOETNWFTXDGT-UHFFFAOYSA-N
Mol Weight 302.45 g/mol
Molecular Formula C17H18OS2
Exact Mass 302.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LG8PNpMvJ51
Name 2,4-Bis(phenylthio)-3-pentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18OS2
InChI InChI=1S/C17H18OS2/c1-13(19-15-9-5-3-6-10-15)17(18)14(2)20-16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKey XBOOETNWFTXDGT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19931260816
Molecular Weight 302.450 g/mol
SMILES CC(C(C(C)Sc1ccccc1)=O)Sc1ccccc1
SPLASH splash10-000i-0901000000-bcb1570d4736afd896aa
Source of Spectrum K-126-1856-16
Synonyms 2,4-bis(phenylthio)pentan-3-one
Wiley ID 1793102